N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

C25H26N4O4 — CID 50791276

IUPACN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H26N4O4/c1-15-23-19(17-9-7-6-8-10-17)14-22(27-24(23)29(3)28-15)33-16(2)25(30)26-20-13-18(31-4)11-12-21(20)32-5/h6-14,16H,1-5H3,(H,26,30)
InChIKeyAIGDZRPSXWZHJJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.37
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 50791276) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID50791276
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H26N4O4/c1-15-23-19(17-9-7-6-8-10-17)14-22(27-24(23)29(3)28-15)33-16(2)25(30)26-20-13-18(31-4)11-12-21(20)32-5/h6-14,16H,1-5H3,(H,26,30)
InChIKeyAIGDZRPSXWZHJJ-UHFFFAOYSA-N
XLogP4.37
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079112
(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791248
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079091
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079313
(2S)-N-(3,5-dimethylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079260
(2R)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94079192
(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
N-(2-chlorophenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50791355
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 50791276) is N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is AIGDZRPSXWZHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-23-19(17-9-7-6-8-10-17)14-22(27-24(23)29(3)28-15)33-16(2)25(30)26-20-13-18(31-4)11-12-21(20)32-5/h6-14,16H,1-5H3,(H,26,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 446.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 50791276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).